1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone

C21H21N5O2S — CID 66760662

IUPAC1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccsc5)cc34)cn2)CC1
InChIInChI=1S/C21H21N5O2S/c1-13(27)25-5-2-16(3-6-25)26-11-15(9-24-26)18-10-23-21(22)20-17(18)8-19(28-20)14-4-7-29-12-14/h4,7-12,16H,2-3,5-6H2,1H3,(H2,22,23)
InChIKeyMBDDGSKUZPVINA-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.19
Rot. Bonds3

About 1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone

1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 66760662) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is 1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID66760662
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC Name1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccsc5)cc34)cn2)CC1
InChIInChI=1S/C21H21N5O2S/c1-13(27)25-5-2-16(3-6-25)26-11-15(9-24-26)18-10-23-21(22)20-17(18)8-19(28-20)14-4-7-29-12-14/h4,7-12,16H,2-3,5-6H2,1H3,(H2,22,23)
InChIKeyMBDDGSKUZPVINA-UHFFFAOYSA-N
XLogP4.19
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone (CID 66760662) is 1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccsc5)cc34)cn2)CC1.
What is the InChIKey of 1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is MBDDGSKUZPVINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-13(27)25-5-2-16(3-6-25)26-11-15(9-24-26)18-10-23-21(22)20-17(18)8-19(28-20)14-4-7-29-12-14/h4,7-12,16H,2-3,5-6H2,1H3,(H2,22,23).
What are the key properties of 1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 407.50 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(7-amino-2-thiophen-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 66760662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).